非晶态(Fe1-xWx)84.5B15.5合金的低温电阻率反常

研究了(Fe_1-xW_x)_84.5B_15.5(x=0—0.1)非晶态合金的电阻率ρ与温度T(4.2—300K)的关系。实验结果表明,在所研究浓度区域内均出现电阻率与温度关系的极小值,电阻率极小值的温度T_min在x=0.06时出现峰值。用x=0.02—0.1浓度区域内,当Tmin时,又出现了电阻率与温度关系的极大值,电阻率极大值的温度T_max在26—35K之间。低温电阻率反常现象与类Kondo效应及局域磁矩之间RKKY相互作用有关。 关键词：     

Hazard from intense low-frequency acoustic impulses

It was predicted that because the ear is spectrally tuned, it should be most affected by intense impulses with spectral peaks near the frequency where it is tuned best (3.0 kHz for the human ear) and progressively less affected by impulses at lower frequencies [G.R. Price, Scand. Audiol. Suppl. 16, 111-121 (1982)]. This prediction is counter to all the DRCs for impulse noise; therefore an adequate test is essential. In order to augment the data on hearing loss to low-spectral-frequency impulses, three groups of cats (eight, nine, and ten animals) were exposed on one occasion to 50 impulses from a 105-mm howitzer at peak SPLs of 153, 159, and 166 dB. Threshold shifts were measured electrophysiologically on the day of exposure (CTS) and following a 2-month recovery period (PTS). Maximum PTSs appeared at 4 kHz (even though the spectral peak of the impulse had been at about 100 Hz), and CTSs recovered into PTSs about half as large. Furthermore, for group data, even small CTSs tended to have a permanent component. These data raise the question as to whether or not any threshold shift persisting an hour or two after exposure to high levels should be considered tolerable. When compared with data from rifle fire exposures, the data confirmed the earlier prediction that as the spectral frequency drops, hazard declines at the rate of a little more than 3 dB/oct, contrary to the rating by existing DRCs.     

Vitamine

Ohne Zusammenfassung     

ZnCl_2溶液中微波辅助SnCl_4催化纤维素制备5-HMF

将纤维素溶解在ZnCl_2溶液中,以SnCl_4为催化剂,微波下使纤维素降解成5-羟甲基糠醛(5-HMF)。实验考察了微波功率、纤维素的质量、ZnCl_2溶液浓度、反应时间及催化剂与纤维素物质的量比等对5-HMF产率的影响。结果表明,以SnCl_4为催化剂,在优化条件:1.0 g纤维素溶解在100 m L 70%ZnCl_2溶液中,微波功率为420 W,降解反应9 min,SnCl_4与纤维素物质的量比2∶1下,5-HMF的产率达到39.4%。     

1,10-邻菲咯啉-铜(Ⅱ)-L-丝氨酸/L-酪氨酸配合物的合成、SOD活性及电化学性质

合成了两个新的配合物:[Cu(Phen)(L-Ser)(H2O)]Cl(1)和[Cu(Phen)(L-Tyr)(H2O)]Cl.2H2O(2)(Phen=1,10-邻菲咯啉、L-Ser=L-丝氨酸、-LTyr=L-酪氨酸).用元素分析、摩尔电导率、红外光谱、紫外-可见光谱对配合物进行了表征.分别采用NBT光还原法和循环伏安法测定了配合物的SOD活性及电化学性质.结果表明,这些配合物具有较高的SOD活性,配合物1、2催化O2-.歧化分解速率常数KQ值分别为3.16×107和1.54×107mol-1.L.s-1.     

Context-dependent effects of asparagine glycosylation on Pin WW folding kinetics and thermodynamics

Asparagine glycosylation is one of the most common and important post-translational modifications of proteins in eukaryotic cells. N-glycosylation occurs when a triantennary glycan precursor is transferred en bloc to a nascent polypeptide (harboring the N-X-T/S sequon) as the peptide is cotranslationally translocated into the endoplasmic reticulum (ER). In addition to facilitating binding interactions with components of the ER proteostasis network, N-glycans can also have intrinsic effects on protein folding by directly altering the folding energy landscape. Previous work from our laboratories (Hanson et al. Proc. Natl. Acad. Sci. U.S.A. 2009, 109, 3131-3136; Shental-Bechor, D.; Levy, Y. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 8256-8261) suggested that the three sugar residues closest to the protein are sufficient for accelerating protein folding and stabilizing the resulting structure in vitro; even a monosaccharide can have a dramatic effect. The highly conserved nature of these three proximal sugars in N-glycans led us to speculate that introducing an N-glycosylation site into a protein that is not normally glycosylated would stabilize the protein and increase its folding rate in a manner that does not depend on the presence of specific stabilizing protein-saccharide interactions. Here, we test this hypothesis experimentally and computationally by incorporating an N-linked GlcNAc residue at various positions within the Pin WW domain, a small β-sheet-rich protein. The results show that an increased folding rate and enhanced thermodynamic stability are not general, context-independent consequences of N-glycosylation. Comparison between computational predictions and experimental observations suggests that generic glycan-based excluded volume effects are responsible for the destabilizing effect of glycosylation at highly structured positions. However, this reasoning does not adequately explain the observed destabilizing effect of glycosylation within flexible loops. Our data are consistent with the hypothesis that specific, evolved protein-glycan contacts must also play an important role in mediating the beneficial energetic effects on protein folding that glycosylation can confer.     

Global QSAR models of skin sensitisers for regulatory purposes

Background

The new European Regulation on chemical safety, REACH, (Registration, Evaluation, Authorisation and Restriction of CHemical substances), is in the process of being implemented. Many chemicals used in industry require additional testing to comply with the REACH regulations. At the same time EU member states are attempting to reduce the number of animals used in experiments under the 3 Rs policy, (refining, reducing, and replacing the use of animals in laboratory procedures). Computational techniques such as QSAR have the potential to offer an alternative for generating REACH data. The FP6 project CAESAR was aimed at developing QSAR models for 5 key toxicological endpoints of which skin sensitisation was one.

Results

This paper reports the development of two global QSAR models using two different computational approaches, which contribute to the hybrid model freely available online.

Conclusions

The QSAR models for assessing skin sensitisation have been developed and tested under stringent quality criteria to fulfil the principles laid down by the OECD. The final models, accessible from CAESAR website, offer a robust and reliable method of assessing skin sensitisation for regulatory use.

     

偏微分方程求解的一种新颖方法-格子Boltzmann模型

介绍了一种偏微分方程求解的一种新颖方法格子Boltzmann模型,详细分析了它的基本理论和基本原理.并通过不可压Navier-Stokes方程组和二维含源项扩散方程的数值模拟计算实例,说明格子Boltzmann方法的有效性,展示了广阔的应用前景,为今后更深入的研究和广泛应用提供参考.